9-tert-butylcarbazole-3,6-dicarbaldehyde

C18H17NO2 — CID 140847857

IUPAC9-tert-butylcarbazole-3,6-dicarbaldehyde
SMILESCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C18H17NO2/c1-18(2,3)19-16-6-4-12(10-20)8-14(16)15-9-13(11-21)5-7-17(15)19/h4-11H,1-3H3
InChIKeyMHUWINJBDQJIBO-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.17
Rot. Bonds2

About 9-tert-butylcarbazole-3,6-dicarbaldehyde

9-tert-butylcarbazole-3,6-dicarbaldehyde (PubChem CID 140847857) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9-tert-butylcarbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Name9-tert-butylcarbazole-3,6-dicarbaldehyde
PubChem CID140847857
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name9-tert-butylcarbazole-3,6-dicarbaldehyde
SMILESCC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C18H17NO2/c1-18(2,3)19-16-6-4-12(10-20)8-14(16)15-9-13(11-21)5-7-17(15)19/h4-11H,1-3H3
InChIKeyMHUWINJBDQJIBO-UHFFFAOYSA-N
XLogP4.17
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
CID 162523490
methane;9-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbazole-3,6-dicarbaldehyde
CID 162523489
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
3-chloro-1-propan-2-ylindole-5-carbaldehyde
CID 90356011
tert-butyl 2,7-diformylcarbazole-9-carboxylate
CID 10829746
1-[tert-butyl(dimethyl)silyl]indole-5-carbaldehyde
CID 53414020
3-tert-butyl-4-methylbenzaldehyde
CID 82644204
1-acetyl-3-chloroindazole-5-carbaldehyde
CID 90697455

Frequently Asked Questions

What is the IUPAC name of 9-tert-butylcarbazole-3,6-dicarbaldehyde?
The IUPAC name of 9-tert-butylcarbazole-3,6-dicarbaldehyde (CID 140847857) is 9-tert-butylcarbazole-3,6-dicarbaldehyde.
What is the SMILES notation for 9-tert-butylcarbazole-3,6-dicarbaldehyde?
The canonical SMILES for 9-tert-butylcarbazole-3,6-dicarbaldehyde is CC(C)(C)n1c2ccc(C=O)cc2c2cc(C=O)ccc21.
What is the InChIKey of 9-tert-butylcarbazole-3,6-dicarbaldehyde?
The InChIKey is MHUWINJBDQJIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(2,3)19-16-6-4-12(10-20)8-14(16)15-9-13(11-21)5-7-17(15)19/h4-11H,1-3H3.
What are the key properties of 9-tert-butylcarbazole-3,6-dicarbaldehyde?
9-tert-butylcarbazole-3,6-dicarbaldehyde has a molecular weight of 279.34 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butylcarbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 140847857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).